Hexyl 2-methylbutyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    10032-15-2

    Molecular formula
    C11H22O2

    SMILES
    CCCCCCOC(=O)C(C)CC
    OO

    Safety labels

    Flammable
    Flammable

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1237.0
    • Carbowax: 1429.0

  • Odor profile

    fruity 95.39%
    green 82.87%
    apple 72.52%
    herbal 56.53%
    tropical 55.88%
    sweet 55.28%
    waxy 54.78%
    pear 48.42%
    banana 48.14%
    fatty 46.7%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8 Well soluble in BB, DEP, IAA

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • 0.1024 hPa @ 20°C
    • 0.1595 hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 105.00 °C. @ 30.00 mm Hg

    Solubility expt.

    • very slightly
    • soluble in alcohol, most fixed oils; insoluble in water

  • Synonyms

    • Hexyl 2-methylbutanoate
    • Hexyl 2-methylbutyrate
    • 10032-15-2
    • Butanoic acid, 2-methyl-, hexyl ester
    • BUTYRIC ACID, 2-METHYL-, HEXYL ESTER
    • FEMA No. 3499
    • 2-Methylbutanoic acid, n-hexyl ester
    • Hexyl 2-methylbutanoate (natural)
    • EINECS 233-106-2
    • UI17LL5Q4P
NaN -Infinity

IFRA Standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Lemon verbena (Morocco) 1 Aloysia triphylla (L'Herit.) Britton (Lippia citriodora (Lam.) O. Kuntze) 0.3%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 0.05%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.12%
Spike lavender 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.06%
Spike lavender (Spain) 5 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.42%
Spike lavender (Iran) 1a fresh 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.2%
Spike lavender (Iran) 1b dry 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.2%
Heracleum persicum (Iran) 1c flower Heracleum persicum L., fam. Apiaceae (Umbelliferae) 0.5%
Tordylium pustulosum fruit (Turkey) Tordylium pustulosum Boiss., fam. Apiaceae (Umbelliferae) 0.3%
Lavandin (Hvar) 8022-15-9 Lavandula x hybrida 0.44%